N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-4-nitrobenzamide
Chemical Structure Depiction of
N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-4-nitrobenzamide
N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-4-nitrobenzamide
Compound characteristics
| Compound ID: | Y032-3659 |
| Compound Name: | N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-4-nitrobenzamide |
| Molecular Weight: | 440.28 |
| Molecular Formula: | C22 H15 Cl2 N3 O3 |
| Smiles: | Cc1cc(C(C#N)c2ccc(cc2)[Cl])c(cc1NC(c1ccc(cc1)[N+]([O-])=O)=O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7661 |
| logD: | 5.7567 |
| logSw: | -6.1829 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.798 |
| InChI Key: | VVECEIQGOJKZDR-IBGZPJMESA-N |